N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C22H21ClN4O — CID 112852645

IUPACN-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(N2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H21ClN4O/c23-18-10-8-16(9-11-18)15-24-22(28)19-14-20(27-12-4-5-13-27)26-21(25-19)17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13,15H2,(H,24,28)
InChIKeyOFNHUOMLNYREGO-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.33
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 112852645) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID112852645
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(N2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H21ClN4O/c23-18-10-8-16(9-11-18)15-24-22(28)19-14-20(27-12-4-5-13-27)26-21(25-19)17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13,15H2,(H,24,28)
InChIKeyOFNHUOMLNYREGO-UHFFFAOYSA-N
XLogP4.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852636
N-[(4-methoxyphenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852647
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282
N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852907
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365353
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692
(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 112852618
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
6-(3-methylpiperidin-1-yl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112854110
N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853415
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112853775

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 112852645) is N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc(N2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is OFNHUOMLNYREGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-18-10-8-16(9-11-18)15-24-22(28)19-14-20(27-12-4-5-13-27)26-21(25-19)17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13,15H2,(H,24,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).